N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide

C14H24N2O — CID 103577857

IUPACN-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide
SMILESC#CC(CC)NC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H24N2O/c1-4-12(5-2)15-11(3)14(17)16-13-9-7-6-8-10-13/h1,11-13,15H,5-10H2,2-3H3,(H,16,17)
InChIKeyZOUYGHQRBQONSO-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.83
Rot. Bonds5

About N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide

N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide (PubChem CID 103577857) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide
PubChem CID103577857
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide
SMILESC#CC(CC)NC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H24N2O/c1-4-12(5-2)15-11(3)14(17)16-13-9-7-6-8-10-13/h1,11-13,15H,5-10H2,2-3H3,(H,16,17)
InChIKeyZOUYGHQRBQONSO-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-(4-methylpent-1-yn-3-ylamino)propanamide
CID 114202342
1-cyclohexyl-3-pent-1-yn-3-ylurea
CID 106225399
N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide
CID 106229084
N-cyclopentyl-2-(3-methylpentan-2-ylamino)propanamide
CID 54950797
ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498920
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
N-pentyl-2-(pent-1-yn-3-ylamino)propanamide
CID 103577887

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide?
The IUPAC name of N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide (CID 103577857) is N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide?
The canonical SMILES for N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide is C#CC(CC)NC(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide?
The InChIKey is ZOUYGHQRBQONSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-12(5-2)15-11(3)14(17)16-13-9-7-6-8-10-13/h1,11-13,15H,5-10H2,2-3H3,(H,16,17).
What are the key properties of N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide?
N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide has a molecular weight of 236.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide is sourced from PubChem (CID 103577857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).